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canSAR1986312
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NAMES
    SMILES
    CNc1cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)ncn1
    InChI
    InChI=1S/C20H21FN8O/c1-22-18-9-19(24-12-23-18)28-10-13-4-7-27(11-17(13)28)20(30)15-8-14(21)2-3-16(15)29-25-5-6-26-29/h2-3,5-6,8-9,12-13,17H,4,7,10-11H2,1H3,(H,22,23,24)/t13-,17-/m0/s1
    MOLECULAR FORMULA
    C20H21FN8O
    CROSS REFERENCES
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    canSAR1986312

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 408.18
    AlogP 1.59
    HBond donors 1
    HBond acceptors 9
    Atoms 51
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1986312.